N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C17H15N3O4 — CID 53023831

IUPACN-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C17H15N3O4/c1-10(21)18-12-3-5-13(6-4-12)19-17(23)11-2-7-15-14(8-11)20-16(22)9-24-15/h2-8H,9H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyJTBMDARRTNKLIG-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.23
Rot. Bonds3

About N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 53023831) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID53023831
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C17H15N3O4/c1-10(21)18-12-3-5-13(6-4-12)19-17(23)11-2-7-15-14(8-11)20-16(22)9-24-15/h2-8H,9H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyJTBMDARRTNKLIG-UHFFFAOYSA-N
XLogP2.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 53023831) is N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is JTBMDARRTNKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10(21)18-12-3-5-13(6-4-12)19-17(23)11-2-7-15-14(8-11)20-16(22)9-24-15/h2-8H,9H2,1H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53023831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).